Molecular Properties | |
SMILES: | COC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(C(C)(C)O)cc45)C3=O)C2)CC1 |
MW: | 569.18 |
Fraction sp3: | 0.45 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 100.04 |
cLogP: | 4.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-853c0ffa-20
0.822
MAT-POS-853c0ffa-11
0.800
MAT-POS-853c0ffa-14
0.780
ALP-POS-ecbed2ba-6
0.743
MAT-POS-853c0ffa-10
0.708
MAT-POS-853c0ffa-16
0.675
MAT-POS-853c0ffa-7
0.661
MAT-POS-853c0ffa-8
0.661
EDJ-MED-b6c6ee2b-4
0.635
MAT-POS-853c0ffa-21
0.632
MIK-ENA-bb7b6957-1
0.628
EDJ-MED-b6c6ee2b-3
0.628
MIK-ENA-60569a44-1
0.628
MAT-POS-853c0ffa-13
0.608
ALP-POS-ecbed2ba-3
0.603
EDJ-MED-5cd3920d-2
0.602
MAT-POS-853c0ffa-19
0.598
MAT-POS-38eb6498-2
0.595
MAT-POS-1a788f51-2
0.594
EDJ-MED-ee81482e-2
0.594
MAT-POS-1a788f51-1
0.591
PET-UNK-94036022-3
0.590
PET-UNK-94036022-10
0.590
EDJ-MED-3707c4bc-2
0.590
EDJ-MED-5cd3920d-1
0.587
LUO-POS-8484f2d3-1
0.585
MAT-POS-853c0ffa-9
0.585
MAT-POS-38eb6498-1
0.585
MIK-ENA-8063e9dc-1
0.585
LUO-POS-8484f2d3-2
0.585
MIK-ENA-7066949b-1
0.585
VLA-UNK-61877630-10
0.583
EDJ-MED-5cd3920d-6
0.583
MAT-POS-40ad851a-4
0.580
PET-UNK-94036022-9
0.580
PET-UNK-94036022-2
0.580
MAT-POS-1a788f51-4
0.579
ALP-POS-ecbed2ba-1
0.579
EDJ-MED-ee81482e-1
0.578
EDJ-MED-4138fde9-1
0.577
EDJ-MED-3707c4bc-1
0.576
MIK-ENA-5d9157e9-1
0.575
EDJ-MED-8bb691af-6
0.575
MIK-ENA-5d9157e9-2
0.575
ALP-POS-ecbed2ba-4
0.575
EDJ-MED-5cd3920d-5
0.570
LUO-POS-d1147590-1
0.568
ALP-POS-ecbed2ba-8
0.566
ALP-POS-ecbed2ba-13
0.566
EDJ-MED-4138fde9-7
0.565
MAT-POS-40ad851a-3
0.564
EDJ-MED-accc2c4d-3
0.563
EDJ-MED-ee81482e-3
0.563
MAT-POS-1a788f51-3
0.560
MAT-POS-40ad851a-2
0.560
ALP-POS-ecbed2ba-15
0.556
ALP-POS-ecbed2ba-22
0.556
EDJ-MED-468565e0-1
0.556
EDJ-MED-468565e0-5
0.556
EDJ-MED-accc2c4d-1
0.554
EDJ-MED-ee81482e-4
0.552
MAT-POS-40ad851a-1
0.551
MAT-POS-853c0ffa-22
0.548
MAT-POS-40ad851a-5
0.548
EDJ-MED-468565e0-2
0.547
ALP-POS-ecbed2ba-2
0.547
EDJ-MED-ee81482e-5
0.545
EDJ-MED-468565e0-4
0.544
EDJ-MED-4138fde9-2
0.543
EDJ-MED-4138fde9-8
0.541
EDJ-MED-4138fde9-9
0.540
ALP-POS-ecbed2ba-11
0.539
MAT-POS-853c0ffa-18
0.537
MAT-POS-853c0ffa-17
0.537
EDJ-MED-7587a9ee-3
0.534
PET-UNK-c6bcc80b-4
0.534
PET-UNK-c6bcc80b-11
0.534
EDJ-MED-468565e0-3
0.532
ALP-POS-ecbed2ba-5
0.532
MAT-POS-853c0ffa-15
0.531
LUO-POS-ed2cfb03-2
0.521
MAT-POS-853c0ffa-6
0.520
ALP-POS-ecbed2ba-10
0.516
MAT-POS-1d5ab790-1
0.516
MAT-POS-853c0ffa-5
0.516
ALP-POS-ecbed2ba-20
0.513
ALP-POS-ecbed2ba-18
0.512
ALP-POS-ecbed2ba-19
0.512
ALP-POS-ecbed2ba-21
0.512
LUO-POS-ed2cfb03-1
0.504
LUO-POS-e1dab717-3
0.504
PET-UNK-df7eb4e6-3
0.500
PET-UNK-df7eb4e6-7
0.500
LUO-POS-e1dab717-5
0.500
EDJ-MED-b6c6ee2b-2
0.496
ALP-POS-ecbed2ba-17
0.496
MAT-POS-ddfe83c6-6
0.496
EDJ-MED-9f4ac58c-6
0.492
ALP-POS-133e7cd9-2
0.488
EDJ-MED-33064c06-16
0.488